(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine

C13H17NOS — CID 105496966

IUPAC(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine
SMILESCOc1ccc2c(c1)C1(CCS2)CC1CN
InChIInChI=1S/C13H17NOS/c1-15-10-2-3-12-11(6-10)13(4-5-16-12)7-9(13)8-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyGPWGAFRHYIMTAL-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.41
Rot. Bonds2

About (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine

(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine (PubChem CID 105496966) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine.

Molecular Properties

Compound Name(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine
PubChem CID105496966
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine
SMILESCOc1ccc2c(c1)C1(CCS2)CC1CN
InChIInChI=1S/C13H17NOS/c1-15-10-2-3-12-11(6-10)13(4-5-16-12)7-9(13)8-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyGPWGAFRHYIMTAL-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 81351637
6-methylspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
CID 105458273
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
6-fluorospiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-amine
CID 105463194
N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
CID 79374306
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469
2-amino-1-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912483
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602

Frequently Asked Questions

What is the IUPAC name of (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine?
The IUPAC name of (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine (CID 105496966) is (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine.
What is the SMILES notation for (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine?
The canonical SMILES for (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine is COc1ccc2c(c1)C1(CCS2)CC1CN.
What is the InChIKey of (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine?
The InChIKey is GPWGAFRHYIMTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-15-10-2-3-12-11(6-10)13(4-5-16-12)7-9(13)8-14/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine?
(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine is sourced from PubChem (CID 105496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).